ChemSpider 2D Image | 3-(2-Chloro-4-hydroxyphenyl)-1H-isochromene-1-thione | C15H9ClO2S

3-(2-Chloro-4-hydroxyphenyl)-1H-isochromene-1-thione

  • Molecular FormulaC15H9ClO2S
  • Average mass288.749 Da
  • Monoisotopic mass288.001190 Da
  • ChemSpider ID21125029

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-2-Benzopyran-1-thione, 3-(2-chloro-4-hydroxyphenyl)- [ACD/Index Name]
3-(2-Chlor-4-hydroxyphenyl)-1H-isochromen-1-thion [German] [ACD/IUPAC Name]
3-(2-Chloro-4-hydroxyphenyl)-1H-isochromene-1-thione [ACD/IUPAC Name]
3-(2-Chloro-4-hydroxyphényl)-1H-isochromène-1-thione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 454.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 228.8±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2112.67
ACD/KOC (pH 5.5): 8345.86
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2059.44
ACD/KOC (pH 7.4): 8135.58
Polar Surface Area: 62 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 193.0±5.0 cm3

Click to predict properties on the Chemicalize site


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